Geometry & MOs

Info

ID:	328483
PubChem CID:	126723223
Reduced:	N4O4C43H86 (1)
Stoich.:	A4B4C43D86 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-312.71
Dipole, Da:	3.8
IP(EA), eV:	-9.26(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-hept-6-ene-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]([C@]1(C)[C@H](C[C@H]2C[C@@H](CC[C@]2(C)CC[C@H](CC)OCCCN)OCCCN)OCCCN)C

DOS

IR

Vibrations