Geometry & MOs

Info

ID:	64538
PubChem CID:	29202798
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	11.91
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations