Geometry & MOs

Info

ID:	186172
PubChem CID:	77398448
Reduced:	O2N11C31H39 (1)
Stoich.:	A2B11C31D39 (1)
Weight, g/mol:	509.24269
ΔH_f, kcal/mol:	49.62
Dipole, Da:	6.35
IP(EA), eV:	-8.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridine-3-carbonyl)-N-[4-[2-[4-(pyrrolidine-2-carbonylamino)phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2CCN(CC2)C3=NC4=C(C(=N3)N)N=CN=C4NC5=C(C=CC(=C5)C(=O)NC6=NNC(=C6)C(=C)C)C

DOS

IR

Vibrations