Geometry & MOs

Info

ID:	275569
PubChem CID:	103816625
Reduced:	BrN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	382.12559
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	2.23
IP(EA), eV:	-8.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-bromo-4,6-dimethylanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC2CC(C2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations