Geometry & MOs

Info

ID:	77378
PubChem CID:	48427249
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	43.65
Dipole, Da:	1.29
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)COC2=CC=C(C=C2)CC#N

DOS

IR

Vibrations