Geometry & MOs

Info

ID:	8788
PubChem CID:	81501
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	25.04
Dipole, Da:	2.34
IP(EA), eV:	-8.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

C1CCC(=NCC1)NCC2=CC=CC=C2

DOS

IR

Vibrations