Geometry & MOs

Info

ID:	422266
PubChem CID:	135117532
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	408.156433
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	5.46
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCN(CC2)CCN3C4=CC=CC=C4OC3=O)O

DOS

IR

Vibrations