Geometry & MOs

Info

ID:	218600
PubChem CID:	85089670
Reduced:	SBr2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	482.05897
ΔH_f, kcal/mol:	60.76
Dipole, Da:	2.32
IP(EA), eV:	-8.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-bromophenyl)-6-(4-butoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC12CCC(C(C1=CC(=NN=C3N(C4=CC=CC=C4S3)C)CC2)Br)Br

DOS

IR

Vibrations