Geometry & MOs

Info

ID:	130717
PubChem CID:	51095837
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	4.07
IP(EA), eV:	-9.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)NCC1=CC=CC=C1N2C=CC=N2

DOS

IR

Vibrations