Geometry & MOs

Info

ID:	448584
PubChem CID:	135292091
Reduced:	O2N6C29H36 (1)
Stoich.:	A2B6C29D36 (1)
Weight, g/mol:	467.233268
ΔH_f, kcal/mol:	26.87
Dipole, Da:	6.9
IP(EA), eV:	-8.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanimidoyl 6-cyclopropyl-5-(4-fluorophenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carboximidate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCOC)C2=NC(=C(C(=C2C#N)C)/C(=C/N)/C=NCC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations