Geometry & MOs

Info

ID:	170070
PubChem CID:	75192832
Reduced:	ClNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-199.24
Dipole, Da:	4.09
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[(3-phenylpyrazolidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1CC2=COC3CCC(CC3C2=O)Cl

DOS

IR

Vibrations