Geometry & MOs

Info

ID:	188397
PubChem CID:	77710764
Reduced:	N3O4C18H29 (1)
Stoich.:	A3B4C18D29 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-189.09
Dipole, Da:	2.76
IP(EA), eV:	-10.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-tert-butyl-2-hydroxy-1-oxo-1-(pyridin-3-ylmethylamino)heptan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)CCCCC(C(C(=O)NCC1=CN=CC=C1)O)NC(=O)O

DOS

IR

Vibrations