Geometry & MOs

Info

ID:	344074
PubChem CID:	127267250
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	5.74
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(1-hydroxybut-3-yn-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC(CO)C#C

DOS

IR

Vibrations