Geometry & MOs

Info

ID:	333355
PubChem CID:	127251907
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	427.237211
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	9.29
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)CCC4=CC=CC=C4OC

DOS

IR

Vibrations