Geometry & MOs

Info

ID:	364145
PubChem CID:	127314321
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	396.10486
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	4.32
IP(EA), eV:	-9.79(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCC2CC3CCC2C3

DOS

IR

Vibrations