Geometry & MOs

Info

ID:	353500
PubChem CID:	127285077
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	5.79
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CC(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations