Geometry & MOs

Info

ID:	181494
PubChem CID:	76750890
Reduced:	ON5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	67.47
Dipole, Da:	2.12
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-4-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]-2-methoxy-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=N1)N)CC(CC2=NOCCN(C)C)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations