Geometry & MOs

Info

ID:	319735
PubChem CID:	126657138
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	4.98
IP(EA), eV:	-8.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(4S)-7-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridin-4-yl]methanediol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC3=C(C=C2)[C@@H](CCO3)CNC4=C(C=CN=C4)C(O)OC

DOS

IR

Vibrations