Geometry & MOs

Info

ID:	331248
PubChem CID:	127248655
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	4.85
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)OC)N(C)C

DOS

IR

Vibrations