Geometry & MOs

Info

ID:	252850
PubChem CID:	103114578
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	5.0
IP(EA), eV:	-9.14(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cycloheptan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)CNCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations