Geometry & MOs

Info

ID:	368222
PubChem CID:	127327773
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-216.01
Dipole, Da:	8.56
IP(EA), eV:	-9.4(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)CC(=O)NC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations