Geometry & MOs

Info

ID:	344043
PubChem CID:	127267219
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	5.2
IP(EA), eV:	-9.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxybut-2-ynyl)-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations