Geometry & MOs

Info

ID:	330782
PubChem CID:	127248189
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	4.31
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[2-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylamino]pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCCC2=C1)CNC3=NC=CC(=C3)C4=C(NN=C4)C5CCN(C5)C(=O)C

DOS

IR

Vibrations