Geometry & MOs

Info

ID:	369461
PubChem CID:	127333445
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-26.16
Dipole, Da:	6.14
IP(EA), eV:	-8.84(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyrimidin-2-yl-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)C(C)N2CCCC(C2)N3CCCC3

DOS

IR

Vibrations