Geometry & MOs

Info

ID:	195399
PubChem CID:	78681953
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	4.12
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCNC(=O)CN(CC)C(=O)COC(=O)C(=CC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations