Geometry & MOs

Info

ID:	331289
PubChem CID:	127248696
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	6.72
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[1-(1-methyl-6-oxopyridine-3-carbonyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations