Geometry & MOs

Info

ID:	306414
PubChem CID:	125011630
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	3.15
IP(EA), eV:	-8.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@H]2CCN(C2)C(=O)CN3C(=O)C(NC3=O)(C)C)C

DOS

IR

Vibrations