Geometry & MOs

Info

ID:	331255
PubChem CID:	127248662
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	29.73
Dipole, Da:	3.37
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)C2=NC(=NC=C2C3=CN=CN=C3)N(C)C

DOS

IR

Vibrations