Geometry & MOs

Info

ID:	427524
PubChem CID:	135159585
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	4.55
IP(EA), eV:	-8.3(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-ethyl-3,4-dihydropyridin-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](CN2C(=N[C@H]1CN)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations