Geometry & MOs

Info

ID:	331286
PubChem CID:	127248693
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	424.258674
ΔH_f, kcal/mol:	8.27
Dipole, Da:	5.93
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations