Geometry & MOs

Info

ID:	43672
PubChem CID:	10321628
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	-3.76
Dipole, Da:	6.1
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CC1CN2CC[C@]34[C@@H]5C6=NC=CC(=C6C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8

DOS

IR

Vibrations