Geometry & MOs

Info

ID:	143683
PubChem CID:	53247179
Reduced:	N3C23H25 (1)
Stoich.:	A3B23C25 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	74.32
Dipole, Da:	3.87
IP(EA), eV:	-8.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[6-(1H-indazol-5-ylamino)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC3CC(C2C3)NC4=CC=CC5=C4C=CN=C5

DOS

IR

Vibrations