Geometry & MOs

Info

ID:	243118
PubChem CID:	99215739
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	475.11067
ΔH_f, kcal/mol:	-149.27
Dipole, Da:	3.94
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations