Geometry & MOs

Info

ID:	49304
PubChem CID:	11532749
Reduced:	N4O6C23H34 (1)
Stoich.:	A4B6C23D34 (1)
Weight, g/mol:	462.220181
ΔH_f, kcal/mol:	-226.51
Dipole, Da:	7.21
IP(EA), eV:	-9.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-N-[3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN(C)C(=O)NC(CC1=CC=C(C=C1)C2C(C=NN(C2=O)C)OC)C(=O)OCCO

DOS

IR

Vibrations