Geometry & MOs

Info

ID:	252867
PubChem CID:	103114703
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	37.33
Dipole, Da:	7.24
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C)NCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations