Geometry & MOs

Info

ID:	225829
PubChem CID:	87226490
Reduced:	N5O8C21H25 (1)
Stoich.:	A5B8C21D25 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	-266.81
Dipole, Da:	7.16
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-2-methyl-N-(2-morpholin-4-ylethyl)-3-pyrrolo[3,2-d]pyrimidin-6-ylidene-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1C[N+](C2=CC=CC=C21)(CCNC(=O)C3=CN(C(=O)NC3=O)[C@@H]4CC([C@@H](O4)CO)O)[O-]

DOS

IR

Vibrations