Geometry & MOs

Info

ID:	180580
PubChem CID:	76656784
Reduced:	YO6C11H20 (1)
Stoich.:	AB6C11D20 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	-212.07
Dipole, Da:	9.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087781
Charge, e:	0

Chem-info

IUPAC name:

N,N,3,3-tetramethyl-2-[2-(8-methyl-3-phenyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)(CCO)COC)O)C.[Y]

DOS

IR

Vibrations