Geometry & MOs

Info

ID:	155015
PubChem CID:	56314581
Reduced:	BrN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	414.196628
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	9.32
IP(EA), eV:	-9.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[3-(difluoromethoxy)-4-methoxybenzoyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations