Geometry & MOs

Info

ID:	331287
PubChem CID:	127248694
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	424.258674
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	5.28
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations