Geometry & MOs

Info

ID:	245383
PubChem CID:	99444140
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	400.272593
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	5.54
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[cyclopropyl-(4-ethylcyclohexyl)carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)OC)OC)NC(=O)/C=C/C2=CC(=CC=C2)Br

DOS

IR

Vibrations