Geometry & MOs

Info

ID:	369340
PubChem CID:	127332368
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	7.54
IP(EA), eV:	-9.08(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[(4-phenyloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)NCC3=CC=CC=C3OC4CCC4

DOS

IR

Vibrations