Geometry & MOs

Info

ID:	350602
PubChem CID:	127278637
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	36.02
Dipole, Da:	3.68
IP(EA), eV:	-8.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCC(C2)NC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations