Geometry & MOs

Info

ID:	196459
PubChem CID:	78833083
Reduced:	FO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-180.23
Dipole, Da:	1.62
IP(EA), eV:	-9.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)OCCOC(=O)CCC1=CC=C(C=C1)F

DOS

IR

Vibrations