Geometry & MOs

Info

ID:	222576
PubChem CID:	85305555
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	373.22845
ΔH_f, kcal/mol:	-186.99
Dipole, Da:	7.55
IP(EA), eV:	-9.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methyl-1,3-dioxan-4-yl)-3-nitrobut-3-enoxy]-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=C(CO)NC=O)C)O

DOS

IR

Vibrations