Geometry & MOs

Info

ID:	189730
PubChem CID:	77896477
Reduced:	ClO2N6C25H29 (1)
Stoich.:	AB2C6D25E29 (1)
Weight, g/mol:	519.224847
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	2.14
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-[[1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]pyrrolidin-3-yl]-5-methylpyrimidin-2-yl]amino]butyl ethyl carbonate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)NC2=NC=C(C(=N2)C3CC(NC3)C(=O)NC(CO)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations