Geometry & MOs

Info

ID:	319739
PubChem CID:	126657145
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-31.72
Dipole, Da:	3.82
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-[[[4-[hydroxy(methoxy)methyl]pyridin-3-yl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]phenol

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1CNC3=C(C=CN=C3)C(O)O)C=CC(=C2)C4=CN(N=C4)CC5CC5

DOS

IR

Vibrations