Geometry & MOs

Info

ID:	186741
PubChem CID:	77476782
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	5.94
IP(EA), eV:	-8.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[3-methyl-4-(3-methylbutyl)-1,4-dihydropyrazol-5-ylidene]indol-6-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NNC(=C2C=C3C=CC(CC3=N2)N(C)C(=O)COC)C1CCC(C)C

DOS

IR

Vibrations