Geometry & MOs

Info

ID:	155247
PubChem CID:	56323505
Reduced:	O5N6C22H22 (1)
Stoich.:	A5B6C22D22 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-68.55
Dipole, Da:	8.11
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2(C3=CC=CC=C31)C(=O)N(C(=O)N2)CC(=O)N4CCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations