Geometry & MOs

Info

ID:	413494
PubChem CID:	135086443
Reduced:	NC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	39.53
Dipole, Da:	3.59
IP(EA), eV:	-8.15(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-(4-phenylbut-3-yn-2-yl)-N-(propan-2-yloxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CCCC/C=C/C(=N\NC1=CC=CC=C1)/C

DOS

IR

Vibrations