Geometry & MOs

Info

ID:	160423
PubChem CID:	57309771
Reduced:	NC14H31 (1)
Stoich.:	AB14C31 (1)
Weight, g/mol:	433.20755
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	1.79
IP(EA), eV:	-9.29(3.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]-(3-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCC(CC)(CCC)N

DOS

IR

Vibrations