Geometry & MOs

Info

ID:	348122
PubChem CID:	127273184
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	8.83
Dipole, Da:	5.26
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations