Geometry & MOs

Info

ID:	125224
PubChem CID:	50915673
Reduced:	ON5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	87.07
Dipole, Da:	5.88
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(dimethoxymethyl)-9-(3-methylbut-2-enyl)pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)NC4=CC=C(C=C4)C(=N)N)O

DOS

IR

Vibrations