Geometry & MOs

Info

ID:	190749
PubChem CID:	78051831
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	2.1
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylpyrazolidin-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CC1C2C(CC(CC2NN1)C3=CN=CC=C3)C(=O)OC

DOS

IR

Vibrations