Geometry & MOs

Info

ID:	445069
PubChem CID:	135264429
Reduced:	N5O5C45H53 (1)
Stoich.:	A5B5C45D53 (1)
Weight, g/mol:	439.168462
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	6.22
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-4-(3-furo[2,3-c]carbazol-6-yl-5-pyridin-3-ylphenyl)buta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)NC(COCO)C4=CN=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations