Geometry & MOs

Info

ID:	331732
PubChem CID:	127249815
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	412.141452
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	6.84
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NN=CS4

DOS

IR

Vibrations