Geometry & MOs

Info

ID:	317634
PubChem CID:	126644645
Reduced:	BrON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	581.311438
ΔH_f, kcal/mol:	3.93
Dipole, Da:	1.12
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C3=NC(=CN=C3N)Br

DOS

IR

Vibrations