Geometry & MOs

Info

ID:	193704
PubChem CID:	78427174
Reduced:	O3N5H19C26 (1)
Stoich.:	A3B5C19D26 (1)
Weight, g/mol:	492.190989
ΔH_f, kcal/mol:	64.68
Dipole, Da:	11.55
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)phenyl]-N-[(E)-[4-(hydroxycarbamoyl)phenyl]methylideneamino]-9H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=CC(=N2)C(=O)N/N=C/C4=CC=C(C=C4)C(=O)NO)C5=CC=CC=C5N3

DOS

IR

Vibrations