Geometry & MOs

Info

ID:	104862
PubChem CID:	50105796
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	4.45
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations