Geometry & MOs

Info

ID:	179673
PubChem CID:	76518316
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-129.11
Dipole, Da:	3.28
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxypyrrolidin-1-yl)-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3C)C4=CC5=C(C=C4)N=C(N5)C

DOS

IR

Vibrations