Geometry & MOs

Info

ID:	45566
PubChem CID:	10514992
Reduced:	OC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	2.63
Dipole, Da:	1.56
IP(EA), eV:	-9.03(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7E,8aR)-7-(dimethylaminomethylidene)-4-propyl-2,3,4a,5,8,8a-hexahydrobenzo[b][1,4]oxazin-6-one

Drug info:

PubChemData

Smile

C=CC[C@](CCC1=CC=CC=C1)(C2=CC=CC=C2)O

DOS

IR

Vibrations