Geometry & MOs

Info

ID:	359899
PubChem CID:	127299943
Reduced:	BrO2N5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	397.14772
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	5.37
IP(EA), eV:	-9.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations