Geometry & MOs

Info

ID:	38703
PubChem CID:	8137790
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	2.67
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations