Geometry & MOs

Info

ID:	237339
PubChem CID:	92718758
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	5.52
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(2-methyl-5-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C23CC4CC(C2)CC(C4)C3)N

DOS

IR

Vibrations