Geometry & MOs

Info

ID:	9860
PubChem CID:	94019
Reduced:	NC18H21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	251.1674
ΔH_f, kcal/mol:	33.88
Dipole, Da:	1.27
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-5,7-dihydrobenzo[d][2]benzazepine

Drug info:

PubChemData

Smile

CCCCN1CC2=CC=CC=C2C3=CC=CC=C3C1

DOS

IR

Vibrations