Geometry & MOs

Info

ID:	185380
PubChem CID:	77292343
Reduced:	NO2C16H19 (2)
Stoich.:	AB2C16D19 (2)
Weight, g/mol:	478.319543
ΔH_f, kcal/mol:	-137.38
Dipole, Da:	4.05
IP(EA), eV:	-8.85(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclopropyl]amino]-1-(3-prop-2-enylphenyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)NC(C2CCCN2C(=O)OC(C)(C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations