Geometry & MOs

Info

ID:	299242
PubChem CID:	117682310
Reduced:	NOH26C31 (2)
Stoich.:	ABC26D31 (2)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	110.26
Dipole, Da:	1.35
IP(EA), eV:	-7.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC7=C6OC8=C7C=CC=C8C(C)C)C9=C(C=CC(=C9)C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)C

DOS

IR

Vibrations