Geometry & MOs

Info

ID:	53529
PubChem CID:	14716471
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	58.13
Dipole, Da:	11.63
IP(EA), eV:	-8.07(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-4-nitrobenzenecarboximidoyl cyanide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)N=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])C(CC1(C)C)C

DOS

IR

Vibrations