Geometry & MOs

Info

ID:	81648
PubChem CID:	49854962
Reduced:	N5C24H27 (1)
Stoich.:	A5B24C27 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	119.83
Dipole, Da:	6.9
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN5C(=NN=C5C6=CC=CC=C6)C4

DOS

IR

Vibrations