Geometry & MOs

Info

ID:	217501
PubChem CID:	85087909
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	1.75
IP(EA), eV:	-8.62(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-hydroxy-4-phenylbutyl)-1-benzyl-3-tert-butylurea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(C)C(C(=O)OC(C)(C)C)O

DOS

IR

Vibrations