Geometry & MOs

Info

ID:	447324
PubChem CID:	135282027
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	2.67
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(fluoromethyl)pyridin-2-yl]pyridin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC(=C(N=C2)OCC(C)CC(C)(C)N)OC

DOS

IR

Vibrations