Geometry & MOs

Info

ID:	441764
PubChem CID:	135243718
Reduced:	ClFSN4O6C27H28 (1)
Stoich.:	ABCD4E6F27G28 (1)
Weight, g/mol:	110.084398
ΔH_f, kcal/mol:	-213.14
Dipole, Da:	2.67
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-azepin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4C5CC(CC56C4COC6)C(C(=O)OC)O

DOS

IR

Vibrations