Geometry & MOs

Info

ID:	268204
PubChem CID:	103598355
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-7.6
Dipole, Da:	2.05
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CC=C1)C(=O)C=CC2=CC=CC=C2OC

DOS

IR

Vibrations