Geometry & MOs

Info

ID:	238020
PubChem CID:	92728829
Reduced:	ClN5O5C23H28 (1)
Stoich.:	AB5C5D23E28 (1)
Weight, g/mol:	469.232519
ΔH_f, kcal/mol:	-187.27
Dipole, Da:	5.83
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(3S)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)N3CCCN(CC3)C4=CC(=O)N(C(=O)N4C)C

DOS

IR

Vibrations