Geometry & MOs

Info

ID:	323976
PubChem CID:	126676704
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	5.37
IP(EA), eV:	-9.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2C=CC=C(C2=O)C(=O)OC

DOS

IR

Vibrations