Geometry & MOs

Info

ID:	309791
PubChem CID:	126558943
Reduced:	N8C27H28 (1)
Stoich.:	A8B27C28 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	187.97
Dipole, Da:	6.49
IP(EA), eV:	-7.76(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-amino-2,2-dimethyl-4-methyliminohex-5-en-3-one

Drug info:

PubChemData

Smile

CCC(=C)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=CC=C(C5=N4)N6CCCCC6

DOS

IR

Vibrations