Geometry & MOs

Info

ID:	322644
PubChem CID:	126670715
Reduced:	IO2N3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	452.268845
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-[(5Z,7Z)-10-phenyl-1-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]deca-5,7-dien-1,3-diyn-5-yl]pyrrolidine-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1I)C2=CC=CC=C2)C3=CN=C(N3)[C@@H]4CCCN4C(O)OC(C)(C)C

DOS

IR

Vibrations