Geometry & MOs

Info

ID:	184528
PubChem CID:	77173363
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	405.262757
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	6.06
IP(EA), eV:	-8.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)C(=O)O)NC2CCCCC2N3CCCC3

DOS

IR

Vibrations