Geometry & MOs

Info

ID:	332614
PubChem CID:	127250900
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	4.46
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)COC)CC4=CC=CC=C4

DOS

IR

Vibrations