Geometry & MOs

Info

ID:	305814
PubChem CID:	124970475
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	3.94
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC(=CC=C1)[C@@H]2CCCN2C(=O)CCC3CCCCC3

DOS

IR

Vibrations