Geometry & MOs

Info

ID:	422898
PubChem CID:	135118584
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	3.76
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

Drug info:

PubChemData

Smile

C1COCCN1C2=NOC(=C2C(=O)N3CCOC(C3)CCN)C4=CC=CC=C4

DOS

IR

Vibrations