Geometry & MOs

Info

ID:	217812
PubChem CID:	85088424
Reduced:	ClOSN5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	401.187005
ΔH_f, kcal/mol:	29.38
Dipole, Da:	5.37
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-4-methylpyrrolidin-2-yl)methyl]-5-chloro-2-methoxy-4-(methylamino)benzamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=C(C=CC=N4)C

DOS

IR

Vibrations