Geometry & MOs

Info

ID:	331261
PubChem CID:	127248668
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CN3CCOCC3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations