Geometry & MOs

Info

ID:	191202
PubChem CID:	78117095
Reduced:	MnN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	336.212071
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.182760
Charge, e:	0

Chem-info

IUPAC name:

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-phenylmethoxybutanal

Drug info:

PubChemData

Smile

CC(=O)O.C1CCCC2=CC=CC(=CNCCNC=C3C=CC=C(C3=O)CC1)C2=O.[Mn+2]

DOS

IR

Vibrations