Geometry & MOs

Info

ID:	174472
PubChem CID:	75767054
Reduced:	ClNO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079128
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxyindazol-1-yl)-N-(1-phenylethyl)propanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1OC)Cl)C[NH2+]CC(C)O

DOS

IR

Vibrations