Geometry & MOs

Info

ID:	333381
PubChem CID:	127251933
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	3.36
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)CC4=CC5=C(C=C4)OCCC5

DOS

IR

Vibrations