Geometry & MOs

Info

ID:	159318
PubChem CID:	57269562
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	386.293328
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	11.58
IP(EA), eV:	-8.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-(methylamino)-6-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]hex-5-en-1-one

Drug info:

PubChemData

Smile

CC1CCC(=NNC2=CC3=CC=CC=C3C=C2C(=O)O)C4=NC=C(C(=O)N14)C(=O)O

DOS

IR

Vibrations