Geometry & MOs

Info

ID:	293290
PubChem CID:	117382232
Reduced:	NC18H21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	34.71
Dipole, Da:	2.17
IP(EA), eV:	-9.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-methoxy-6-methylphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCC2)CN)C3=CC=CC=C3

DOS

IR

Vibrations