Geometry & MOs

Info

ID:	189669
PubChem CID:	77887154
Reduced:	SO6N8C45H56 (1)
Stoich.:	AB6C8D45E56 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	3.06
IP(EA), eV:	-8.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2S1)C3CN=C(N3)C45CCC(C4)CN5C(=O)C(C(C)C)NC(=O)OC)C6=CC=C(C=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations