Geometry & MOs

Info

ID:	436896
PubChem CID:	135212726
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	477.299142
ΔH_f, kcal/mol:	25.24
Dipole, Da:	2.23
IP(EA), eV:	-8.27(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[2-[(2S,3S,4S)-2-(methoxymethyl)-4-methyl-3-[4-(3-methylphenyl)phenyl]azetidin-1-yl]-2-oxoethyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC(C)C2=CC=CC=C2N(C)C)N

DOS

IR

Vibrations