Geometry & MOs

Info

ID:	70275
PubChem CID:	48409900
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	1.47
IP(EA), eV:	-9.16(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CC2CC3CCC2C3

DOS

IR

Vibrations