Geometry & MOs

Info

ID:	309185
PubChem CID:	126539731
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	297.278013
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	3.68
IP(EA), eV:	-8.67(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethyl-4-[4-(3-methylbutyl)piperazin-1-yl]oxan-4-yl]methanamine

Drug info:

PubChemData

Smile

C/C=C\C(=C)NCC(C)O

DOS

IR

Vibrations