Geometry & MOs

Info

ID:	448943
PubChem CID:	135294624
Reduced:	O2N7C23H29 (1)
Stoich.:	A2B7C23D29 (1)
Weight, g/mol:	354.09429
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	3.87
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-bromo-5-(methylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(C2=C1C=CC(=C2)C3=NC(=NC=C3)NC4=CN(N=C4)C)C

DOS

IR

Vibrations