Geometry & MOs

Info

ID:	358239
PubChem CID:	127295784
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	4.31
IP(EA), eV:	-8.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations