Geometry & MOs

Info

ID:	80200
PubChem CID:	49833504
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	3.7
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(2-amino-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[4-(fluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=C(C=C4)N=C(N5)N)O

DOS

IR

Vibrations