Geometry & MOs

Info

ID:	306347
PubChem CID:	125003862
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	7.49
IP(EA), eV:	-8.71(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[6-(2-methylimidazol-1-yl)pyridin-2-yl]pyrrolidin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CN2CCN(C[C@H](C2)C(=O)N)C3CCOCC3

DOS

IR

Vibrations