Geometry & MOs

Info

ID:	237637
PubChem CID:	92720072
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	1.66
IP(EA), eV:	-8.76(2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine

Drug info:

PubChemData

Smile

CC[C@H](CO)N(C)C1CC1

DOS

IR

Vibrations