Geometry & MOs

Info

ID:	196426
PubChem CID:	78823578
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	4.08
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NCCO

DOS

IR

Vibrations