Geometry & MOs

Info

ID:	146402
PubChem CID:	53683274
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	512.09468
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	3.32
IP(EA), eV:	-9.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl N-[amino-[3-[[4-(bromomethyl)phenyl]methoxy]-4-methoxyphenyl]methylidene]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CO1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations