Geometry & MOs

Info

ID:	264430
PubChem CID:	103461035
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	4.4
IP(EA), eV:	-9.07(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)N1CCCCC1

DOS

IR

Vibrations