Geometry & MOs

Info

ID:	255556
PubChem CID:	103132956
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	2.9
IP(EA), eV:	-8.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-4-methylphenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C3=CC=CC=C3C=C2)CN

DOS

IR

Vibrations