Geometry & MOs

Info

ID:	369004
PubChem CID:	127331108
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	5.09
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations