Geometry & MOs

Info

ID:	298473
PubChem CID:	117650063
Reduced:	O2N3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	22.29
Dipole, Da:	3.2
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-2-methoxyphenyl)methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)/C=N/N=O

DOS

IR

Vibrations