Geometry & MOs

Info

ID:	70262
PubChem CID:	48409810
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	3.0
IP(EA), eV:	-9.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-acetamidophenyl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NCC2=C(N(N=C2C)CCOC)C

DOS

IR

Vibrations