Geometry & MOs

Info

ID:	312699
PubChem CID:	126607452
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-3.76
Dipole, Da:	1.82
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-4-(methoxymethyl)-3-methylhepta-1,3,5-triene

Drug info:

PubChemData

Smile

CCCCNCC(=O)N1CCC2=NC(=NC=C2C1)NC3CC4=CC=CC=C4C3

DOS

IR

Vibrations