Geometry & MOs

Info

ID:	299095
PubChem CID:	117671218
Reduced:	NH15C25 (1)
Stoich.:	AB15C25 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	130.71
Dipole, Da:	1.0
IP(EA), eV:	-8.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-2-[[6-(2-methylpyrazol-3-yl)pyridin-3-yl]amino]-N-(6-phenylpyridazin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=CC4=C(C=C31)N5C6=CC=CC=C6C7=C5C4=CC=C7

DOS

IR

Vibrations