Geometry & MOs

Info

ID:	304517
PubChem CID:	124756136
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	3.69
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC=CC=C2N3CCC(=O)NC3=O)C4=CC=CC=C4

DOS

IR

Vibrations