Geometry & MOs

Info

ID:	245207
PubChem CID:	99437883
Reduced:	BrO3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	10.03
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[4-(oxan-4-ylamino)phenyl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2C=CC(=N2)C(=O)N)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations