Geometry & MOs

Info

ID:	253287
PubChem CID:	103117374
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	4.69
IP(EA), eV:	-8.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCCCC2C3CCNCC3

DOS

IR

Vibrations