Geometry & MOs

Info

ID:	305767
PubChem CID:	124968684
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	454.211724
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	5.82
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-[6-[(2-methoxyphenyl)methyl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=NC=C(N=C2)C[C@@H]3CCCN(C3)C(=O)C(C)(C)C

DOS

IR

Vibrations