Geometry & MOs

Info

ID:	333285
PubChem CID:	127251837
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-5.52
Dipole, Da:	4.07
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)OCC(=O)N3CCC(C3)C4=NC5=C(CN(CC5)C)C(=N4)NC

DOS

IR

Vibrations