Geometry & MOs

Info

ID:	331271
PubChem CID:	127248678
Reduced:	FO2N5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	2.08
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCCN3CCCC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations