Geometry & MOs

Info

ID:	325160
PubChem CID:	126681678
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	599.314792
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	1.92
IP(EA), eV:	-8.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-cyclopropyl-1-(3-methoxy-2-phenylmethoxyphenyl)propyl]phenyl]-2-(3-ethylphenyl)-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC2=CC=CC=C2)C(C3=CC(=CC=C3)N)O

DOS

IR

Vibrations