Geometry & MOs

Info

ID:	257275
PubChem CID:	103144836
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	7.81
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-1-ethylazepan-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CCOC(C2)(C)C

DOS

IR

Vibrations