Geometry & MOs

Info

ID:	414390
PubChem CID:	135087347
Reduced:	NCl2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	365.148789
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	5.25
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CC3=CC(=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations