Geometry & MOs

Info

ID:	335739
PubChem CID:	127254601
Reduced:	ON5C16H29 (1)
Stoich.:	AB5C16D29 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	4.97
IP(EA), eV:	-10.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethoxyphenyl)-N-[2-(1-methylindol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C1(CCCCC1)N2C=NN=N2

DOS

IR

Vibrations