Geometry & MOs

Info

ID:	368038
PubChem CID:	127326634
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	6.45
IP(EA), eV:	-8.76(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(3-propan-2-ylcyclohexyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations