Geometry & MOs

Info

ID:	332613
PubChem CID:	127250899
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	3.99
IP(EA), eV:	-8.7(0.01)
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]-2-methoxyethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations