Geometry & MOs

Info

ID:	343770
PubChem CID:	127266946
Reduced:	ON3F4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-213.93
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-(2,3-dihydroxybutyl)-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1N(C2=CN=CC=C2)C(=O)C(F)(F)F)CCCF

DOS

IR

Vibrations