Geometry & MOs

Info

ID:	187325
PubChem CID:	77559370
Reduced:	ClN3O6H24C26 (1)
Stoich.:	AB3C6D24E26 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-174.55
Dipole, Da:	8.76
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(dimethylcarbamoyloxy)phenyl]-3-hydroxypropyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl)NC(C)C(=O)O

DOS

IR

Vibrations