Geometry & MOs

Info

ID:	305951
PubChem CID:	124975844
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	0.58
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]morpholin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N(C)C[C@]2(CCCN(C2)C3=NC=CN=C3)O

DOS

IR

Vibrations