Geometry & MOs

Info

ID:	340944
PubChem CID:	127263379
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	360.08373
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	3.76
IP(EA), eV:	-9.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(2-bromo-6-methoxyphenyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CN(CC1C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

DOS

IR

Vibrations