Geometry & MOs

Info

ID:	417227
PubChem CID:	135091739
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	318.088353
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	5.0
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)(C)C)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations