Geometry & MOs

Info

ID:	260232
PubChem CID:	103185423
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	4.13
IP(EA), eV:	-8.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-3-ethylaniline

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CNCC(C)(C)CN(C)C

DOS

IR

Vibrations