Geometry & MOs

Info

ID:	331296
PubChem CID:	127248703
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	4.08
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations