Geometry & MOs

Info

ID:	388187
PubChem CID:	134988489
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	181.18305
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	3.37
IP(EA), eV:	-9.2(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-6,6-dimethyl-2,3,4,5-tetrahydroazepine

Drug info:

PubChemData

Smile

CCCN=C(CC)C(=NC(C)C)C

DOS

IR

Vibrations