Geometry & MOs

Info

ID:	17893
PubChem CID:	525979
Reduced:	NO2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	-55.68
Dipole, Da:	2.21
IP(EA), eV:	-8.17(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6,6,9a-trimethyl-5a,7,8,9-tetrahydrobenzo[e]isoindol-2-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1(CCCC2(C1C=CC3=CN(C=C32)C(CC4=CC=CC=C4)C(=O)OC)C)C

DOS

IR

Vibrations