Geometry & MOs

Info

ID:	323545
PubChem CID:	126675388
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	484.14739
ΔH_f, kcal/mol:	9.41
Dipole, Da:	2.58
IP(EA), eV:	-8.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-[(Z)-1-iminohex-2-en-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N=C/C(=C\N)/C2=CC(=C(N=C2)N)C(=O)N

DOS

IR

Vibrations