Geometry & MOs

Info

ID:	74426
PubChem CID:	48421852
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	1.94
IP(EA), eV:	-9.35(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3

DOS

IR

Vibrations