Geometry & MOs

Info

ID:	207369
PubChem CID:	80388327
Reduced:	NF2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	2.89
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(CC1=C(C=C(C=C1)F)F)NCCC

DOS

IR

Vibrations