Geometry & MOs

Info

ID:	25129
PubChem CID:	619284
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-103.16
Dipole, Da:	5.38
IP(EA), eV:	-9.23(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(morpholin-4-ylmethyl)-7-propan-2-ylazulene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)OC(=O)C=CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations