Geometry & MOs

Info

ID:	435815
PubChem CID:	135192495
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	316.083937
ΔH_f, kcal/mol:	-23.85
Dipole, Da:	2.01
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-3-[N-amino-4-chloro-2-(6-methoxypyrimidin-4-yl)anilino]prop-2-enenitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3CCO)NC1=O)N

DOS

IR

Vibrations