Geometry & MOs

Info

ID:	319737
PubChem CID:	126657143
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	7.28
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(4S)-7-thiophen-2-yl-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridin-4-yl]methanediol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C2=CC3=C(C=C2)[C@@H](OC3)CNC4=C(C=CN=C4)C(O)O

DOS

IR

Vibrations