Geometry & MOs

Info

ID:	332605
PubChem CID:	127250891
Reduced:	ON6C26H30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	444.26376
ΔH_f, kcal/mol:	25.88
Dipole, Da:	6.13
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)C4=CN=C(N=C4C)C)CC5=CC=CC=C5

DOS

IR

Vibrations