Geometry & MOs

Info

ID:	323618
PubChem CID:	126675595
Reduced:	ON2C25H34 (1)
Stoich.:	AB2C25D34 (1)
Weight, g/mol:	478.25532
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	1.38
IP(EA), eV:	-8.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[3-[(3R)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]oxyphenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations