Geometry & MOs

Info

ID:	201220
PubChem CID:	79508548
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	28.35
Dipole, Da:	4.97
IP(EA), eV:	-9.07(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC2=NCCCCC2

DOS

IR

Vibrations