Geometry & MOs

Info

ID:	157762
PubChem CID:	56437034
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	416.140389
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	2.89
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNC2CCN(CC2)C3=NC=CC=N3)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations