Geometry & MOs

Info

ID:	331263
PubChem CID:	127248670
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-37.01
Dipole, Da:	6.43
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CN3CCCCC3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations