Geometry & MOs

Info

ID:	331273
PubChem CID:	127248680
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	6.44
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations