Geometry & MOs

Info

ID:	448695
PubChem CID:	135292836
Reduced:	N4O13C26H32 (1)
Stoich.:	A4B13C26D32 (1)
Weight, g/mol:	595.626731
ΔH_f, kcal/mol:	-521.63
Dipole, Da:	4.25
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]-N-methylnonadecan-7-amine

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC=C1NCC2=CC=C(C=C2)CN3C(C(OC(C3(O)O)(O)O)(O)O)(O)O)C=O)C4(CCC(=O)NC4=O)O

DOS

IR

Vibrations