Geometry & MOs

Info

ID:	348117
PubChem CID:	127273179
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	23.72
Dipole, Da:	6.23
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexylethyl)-1-methyl-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations