Geometry & MOs

Info

ID:	176361
PubChem CID:	76037108
Reduced:	ClNOH20C23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	344.194737
ΔH_f, kcal/mol:	74.45
Dipole, Da:	2.23
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[methoxy(methyl)carbamoyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(=NOC(C=CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations