Geometry & MOs

Info

ID:	244639
PubChem CID:	99376166
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	1.43
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2=CN=C3C(=C2)C=NN3CC(C)C

DOS

IR

Vibrations