Geometry & MOs

Info

ID:	422497
PubChem CID:	135117930
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	5.93
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-5-methoxy-1,2-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC(=O)C4=C(N3)C(=CC=C4)Cl)O

DOS

IR

Vibrations