Geometry & MOs

Info

ID:	321857
PubChem CID:	126667086
Reduced:	O2N7C25H29 (1)
Stoich.:	A2B7C25D29 (1)
Weight, g/mol:	357.0688
ΔH_f, kcal/mol:	73.57
Dipole, Da:	7.81
IP(EA), eV:	-7.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-(4-bromo-5-methoxy-2-nitrophenyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=NOC5=CC=CC=C54)OC

DOS

IR

Vibrations