Geometry & MOs

Info

ID:	177180
PubChem CID:	76143776
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	1.21
IP(EA), eV:	-9.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-hydroxy-4-methyl-1-(4-phenylmethoxyphenyl)pent-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=CC(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations