Geometry & MOs

Info

ID:	420313
PubChem CID:	135112400
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	11.95
Dipole, Da:	2.44
IP(EA), eV:	-9.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,14S)-12-[(1-ethylimidazol-2-yl)methyl]-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1N(C)CC2=COC=C2)C

DOS

IR

Vibrations