Geometry & MOs

Info

ID:	64777
PubChem CID:	29203987
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	10.9
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CCCNC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations