Geometry & MOs

Info

ID:	72335
PubChem CID:	48416058
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	1.42
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-ethyl-N-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations