Geometry & MOs

Info

ID:

442781

PubChem CID:

135256191

Reduced:

OH30C43 (1)

Stoich.:

AB30C43 (1)

Weight, g/mol:

510.22402

ΔHf, kcal/mol:

148.88

Dipole, Da:

1.3

IP(EA), eV:

 -8.27(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-4-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]-3-methylpiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C/C=C\C1=CC2=C(C=C1C=C)C3=C(O2)C=CC(=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC(=C7)C8=CC=CC=C8

DOS

IR

Vibrations