Geometry & MOs

Info

ID:	25922
PubChem CID:	633843
Reduced:	N3O5C38H53 (1)
Stoich.:	A3B5C38D53 (1)
Weight, g/mol:	396.182435
ΔH_f, kcal/mol:	-170.32
Dipole, Da:	5.87
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[4-[[4-(diazonioamino)phenyl]methylideneamino]phenyl]-3-oxoprop-1-enyl]-4-(dimethylamino)benzene

Drug info:

PubChemData

Smile

CC(C)C(C)C1C(O1)C(C)C2CCC3C2(CCC4C35C=CC6(C4(CCC(C6)OCOC)C)N7N5C(=O)N(C7=O)C8=CC=CC=C8)C

DOS

IR

Vibrations