Geometry & MOs

Info

ID:	322360
PubChem CID:	126669909
Reduced:	N3C13H25 (2)
Stoich.:	A3B13C25 (2)
Weight, g/mol:	474.170165
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	5.27
IP(EA), eV:	-8.74(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[7-chloro-3-[(4-chlorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]-2,3-dihydro-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCC(C)CN1C(CN(C1=N)CCCC[C@H]2CN=C(N2CC3CCCCC3)N)C(C)CC

DOS

IR

Vibrations