Geometry & MOs

Info

ID:	349620
PubChem CID:	127275772
Reduced:	ClSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	2.42
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2=NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations