Geometry & MOs

Info

ID:	217744
PubChem CID:	85088310
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	6.61
IP(EA), eV:	-9.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-nitro-1-phenyl-3-(1-phenylethyl)-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C(C1N2CCCC2C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations