Geometry & MOs

Info

ID:	368069
PubChem CID:	127327170
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	1.94
IP(EA), eV:	-8.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylazepan-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(CC2)NC(=O)C3CSC4(N3C(=O)CC4)C

DOS

IR

Vibrations