Geometry & MOs

Info

ID:	333365
PubChem CID:	127251917
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	5.77
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)C)C(=N2)NC

DOS

IR

Vibrations