Geometry & MOs

Info

ID:	70271
PubChem CID:	48409878
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	9.63
Dipole, Da:	3.73
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4

DOS

IR

Vibrations