Geometry & MOs

Info

ID:	156554
PubChem CID:	56371113
Reduced:	BrN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	388.320212
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations