Geometry & MOs

Info

ID:	274153
PubChem CID:	103807378
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-126.1
Dipole, Da:	3.02
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cycloheptylamino)ethyl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCN1C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations