Geometry & MOs

Info

ID:	185464
PubChem CID:	77302592
Reduced:	N2O5C13H22 (1)
Stoich.:	A2B5C13D22 (1)
Weight, g/mol:	660.342404
ΔH_f, kcal/mol:	-235.54
Dipole, Da:	8.21
IP(EA), eV:	-9.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-[4-[4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CN)C(C(=O)N1CCCC1(C)C(=O)O)C(=O)OC

DOS

IR

Vibrations