Geometry & MOs

Info

ID:	305593
PubChem CID:	124961265
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	474.206719
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	1.72
IP(EA), eV:	-8.91(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C[C@]1(CCN(C1)C2=NC=CC=N2)O)C(=O)CN3CCCC3

DOS

IR

Vibrations