Geometry & MOs

Info

ID:	411488
PubChem CID:	135084319
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-54.03
Dipole, Da:	3.25
IP(EA), eV:	-9.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-ethynyl-5-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC=C1Cl)C(C)(C)C

DOS

IR

Vibrations