Geometry & MOs

Info

ID:	332892
PubChem CID:	127251316
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	2.52
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)pyridin-2-yl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations