Geometry & MOs

Info

ID:	322510
PubChem CID:	126670313
Reduced:	O2N8C31H40 (1)
Stoich.:	A2B8C31D40 (1)
Weight, g/mol:	166.121846
ΔH_f, kcal/mol:	6.6
Dipole, Da:	2.96
IP(EA), eV:	-8.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-propan-2-yltriazin-5-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1NC2=NC=CC(=N2)N3C4=CC=CC=C4N(C3=O)C(C)C)NC(=O)C=C)N(C)CCN(C)C

DOS

IR

Vibrations