Geometry & MOs

Info

ID:	366979
PubChem CID:	127322527
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	3.91
IP(EA), eV:	-9.22(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-4-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)NC3CCOCC3

DOS

IR

Vibrations