Geometry & MOs

Info

ID:	156153
PubChem CID:	56369340
Reduced:	BrON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-38.75
Dipole, Da:	3.69
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[3-(azepan-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCCN2CCCCCC2)Br

DOS

IR

Vibrations