Geometry & MOs

Info

ID:	196327
PubChem CID:	78812044
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	381.219846
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	5.11
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-methylprop-2-enyl)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C4C3)NC2=O

DOS

IR

Vibrations