Geometry & MOs

Info

ID:	364169
PubChem CID:	127314465
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-18.38
Dipole, Da:	2.13
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylcyclohexyl)methyl]-3-[(3-methyloxetan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)N2CCN(CC2)C3=CC=CC=C3C#N

DOS

IR

Vibrations