Geometry & MOs

Info

ID:	430165
PubChem CID:	135170228
Reduced:	N3O5C23H37 (1)
Stoich.:	A3B5C23D37 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-218.52
Dipole, Da:	3.96
IP(EA), eV:	-8.83(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(=CC3)[C@@H]4CCCN4C(=O)OCCOC

DOS

IR

Vibrations