Geometry & MOs

Info

ID:	226122
PubChem CID:	87325821
Reduced:	PSN4O11C25H43 (1)
Stoich.:	ABC4D11E25F43 (1)
Weight, g/mol:	582.3974
ΔH_f, kcal/mol:	-566.52
Dipole, Da:	6.32
IP(EA), eV:	-9.28(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Drug info:

PubChemData

Smile

CCOP(=O)(OCC(COC(=O)C)OC(=O)C)ONC(=O)CCCCCNC(=O)CCCCC1[C@@H]2[C@H](CS1)NC(=O)N2

DOS

IR

Vibrations