Geometry & MOs

Info

ID:	308608
PubChem CID:	126497141
Reduced:	ON6H30C33 (1)
Stoich.:	AB6C30D33 (1)
Weight, g/mol:	393.226371
ΔH_f, kcal/mol:	156.31
Dipole, Da:	3.11
IP(EA), eV:	-7.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-[3-(hydroxymethyl)-5-(methoxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=CC=CC=C3O2)N4C=CN(C4C5C(C6=CC=CC=C6N7C5N(C8=NC=CN=C87)C)C=C)C

DOS

IR

Vibrations