Geometry & MOs

Info

ID:	70257
PubChem CID:	48409788
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	3.46
IP(EA), eV:	-9.17(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,3-dimethyl-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)O

DOS

IR

Vibrations