Geometry & MOs

Info

ID:	31975
PubChem CID:	3726536
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	0.86
Dipole, Da:	2.18
IP(EA), eV:	-8.71(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methylphenyl)ethyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C)N2CCCNCC2

DOS

IR

Vibrations