Geometry & MOs

Info

ID:	331246
PubChem CID:	127248653
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	9.3
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)C(=O)N)N(C)C

DOS

IR

Vibrations