Geometry & MOs

Info

ID:	123785
PubChem CID:	50862103
Reduced:	OS2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	33.53
Dipole, Da:	6.32
IP(EA), eV:	-7.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3)C(CC1(C)C)C

DOS

IR

Vibrations