Geometry & MOs

Info

ID:	243119
PubChem CID:	99215742
Reduced:	BrN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	426.19215
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	2.57
IP(EA), eV:	-9.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations