Geometry & MOs

Info

ID:	352986
PubChem CID:	127284077
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	381.112316
ΔH_f, kcal/mol:	-125.0
Dipole, Da:	4.63
IP(EA), eV:	-8.83(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-5-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC(=O)CCNC(=O)C2CCCCC2

DOS

IR

Vibrations