Geometry & MOs

Info

ID:	334422
PubChem CID:	127252974
Reduced:	N2O7H24C28 (1)
Stoich.:	A2B7C24D28 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	-214.6
Dipole, Da:	8.28
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(N1)C=CC(=C2)N/C(=C/3\C(=O)C=C4[C@](C3=O)(C5=C(C(=C(C(=C5O4)C(=O)C)O)C)O)C)/C

DOS

IR

Vibrations