Geometry & MOs

Info

ID:	150829
PubChem CID:	53790525
Reduced:	ClO3N5C31H40 (1)
Stoich.:	AB3C5D31E40 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	6.15
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxymethyl)-5-phenoxy-2,9-dihydropyrido[3,4-b]indol-3-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[C@](C3CCCCC3)(C(=O)NCC(=O)N)NC4=CC=CC=C4)CO)Cl

DOS

IR

Vibrations