Geometry & MOs

Info

ID:	252842
PubChem CID:	103114521
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	5.01
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]azepan-4-amine

Drug info:

PubChemData

Smile

CCC(C)(CNCC1=C(C(=CC=C1)[N+](=O)[O-])C)CO

DOS

IR

Vibrations