Geometry & MOs

Info

ID:	333342
PubChem CID:	127251894
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	3.43
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[4-(methylamino)-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)CC(=O)NC4=CC=C(C=C4)OC)C(=N2)NC

DOS

IR

Vibrations