Geometry & MOs

Info

ID:	126064
PubChem CID:	50950192
Reduced:	N2O2C23H32 (1)
Stoich.:	A2B2C23D32 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	2.9
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(2-ethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(CN1CC[C@H]([C@@H](C1)O)C2=CC3=CC=CC=C3C=C2)N4CCOCC4

DOS

IR

Vibrations