Geometry & MOs

Info

ID:	334918
PubChem CID:	127253724
Reduced:	N2O3C19H23 (2)
Stoich.:	A2B3C19D23 (2)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-158.06
Dipole, Da:	4.25
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCCN1C=CC2=CC=CC=C21)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations