Geometry & MOs

Info

ID:	169800
PubChem CID:	75150789
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	3.65
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-oxa-1,4,8-triazatricyclo[7.4.0.02,6]tridec-8-ene

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)N2CCC(CC2)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations