Geometry & MOs

Info

ID:	232540
PubChem CID:	87576388
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	375.121051
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	1.56
IP(EA), eV:	-9.09(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[(6-methoxy-5-methyl-2H-benzotriazol-4-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

C=CCN(CC=C)CC(CC(=O)OCC=C)N

DOS

IR

Vibrations