Geometry & MOs

Info

ID:	149903
PubChem CID:	53789585
Reduced:	N4C27H54 (1)
Stoich.:	A4B27C54 (1)
Weight, g/mol:	340.072703
ΔH_f, kcal/mol:	1.72
Dipole, Da:	0.32
IP(EA), eV:	-6.88(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(anilinomethylidene)-N-(4-chlorophenyl)-5-oxopyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC(N1N(N2C(CCCC2(C)C)(C)C)N3C(CCCC3(C)C)(C)C)(C)C)C

DOS

IR

Vibrations