Geometry & MOs

Info

ID:	366982
PubChem CID:	127322530
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	1.59
IP(EA), eV:	-9.17(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)NC(C)C(=O)N(C)C

DOS

IR

Vibrations