Geometry & MOs

Info

ID:	224584
PubChem CID:	85345049
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	2.7
IP(EA), eV:	-8.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxyindol-3-ylidene)-2,5-dimethyl-1H-pyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=CCC2C1C(OC=C2C)N(C)C3=CC=CC=C3

DOS

IR

Vibrations