Geometry & MOs

Info

ID:	65890
PubChem CID:	46386984
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	9.43
Dipole, Da:	2.15
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-4-(6-phenoxypyridazin-3-yl)benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)C2=NN=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations