Geometry & MOs

Info

ID:	333320
PubChem CID:	127251872
Reduced:	ON6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-4.9
Dipole, Da:	6.24
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]pyrrolidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)N5CCCC5

DOS

IR

Vibrations