Geometry & MOs

Info

ID:	388846
PubChem CID:	134990389
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-221.41
Dipole, Da:	2.97
IP(EA), eV:	-8.88(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)formamide

Drug info:

PubChemData

Smile

CC[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)O)CCC4=C3CCC5(C4)OCC(CO5)(C)C

DOS

IR

Vibrations