Geometry & MOs

Info

ID:	326309
PubChem CID:	126687309
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	337.171417
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	1.7
IP(EA), eV:	-8.67(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(1E)-1-[(5R)-3-fluoro-5-methoxy-4-methyl-3,4,5,9-tetrahydropyrido[3,4-b]azepin-6-ylidene]ethyl]iminoprop-1-ene-1,1-diamine

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(C3=CC=CC=C3)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations