Geometry & MOs

Info

ID:	269751
PubChem CID:	103618920
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	3.81
IP(EA), eV:	-9.17(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)N2CCC(C2)C(=O)N

DOS

IR

Vibrations