Geometry & MOs

Info

ID:	404963
PubChem CID:	135071968
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-102.31
Dipole, Da:	4.52
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[3-(2-methoxyphenyl)prop-2-ynyl]-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NN(CC#CC1=CC=CC=C1)C(=O)OC(C)C

DOS

IR

Vibrations