Geometry & MOs

Info

ID:	49474
PubChem CID:	11533075
Reduced:	BrON6C23H23 (1)
Stoich.:	ABC6D23E23 (1)
Weight, g/mol:	478.15795
ΔH_f, kcal/mol:	102.27
Dipole, Da:	6.33
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-2-methylpyrazol-3-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=NC5=NNC(=C54)Br

DOS

IR

Vibrations