Geometry & MOs

Info

ID:	175516
PubChem CID:	75915365
Reduced:	BrN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	445.241508
ΔH_f, kcal/mol:	-137.2
Dipole, Da:	7.28
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]anilino]-N-[2-(difluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCC(N(C1)C(=O)CCC(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations