Geometry & MOs

Info

ID:	126502
PubChem CID:	50966377
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	7.72
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-[(3,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C)CCC(=O)N[C@H](C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations