Geometry & MOs

Info

ID:	275853
PubChem CID:	103818461
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	2.81
IP(EA), eV:	-8.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2CCSCC2

DOS

IR

Vibrations