Geometry & MOs

Info

ID:	189192
PubChem CID:	77825744
Reduced:	BNO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	399.248169
ΔH_f, kcal/mol:	-211.2
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753432
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(1-aminoethylideneamino)ethoxy]ethyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

[B](NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O)OC

DOS

IR

Vibrations