Geometry & MOs

Info

ID:	350335
PubChem CID:	127277413
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	28.18
Dipole, Da:	6.29
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C2=NC=CN2)N3C=NC=N3

DOS

IR

Vibrations