Geometry & MOs

Info

ID:	404962
PubChem CID:	135071967
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	117.88
Dipole, Da:	10.19
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-(3-phenylprop-2-ynyl)-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

C/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C#CC2=CC=CC=C2

DOS

IR

Vibrations