Geometry & MOs

Info

ID:	358284
PubChem CID:	127295829
Reduced:	ON6C15H26 (1)
Stoich.:	AB6C15D26 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	8.57
IP(EA), eV:	-9.08(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations