Geometry & MOs

Info

ID:	127958
PubChem CID:	51024859
Reduced:	N2C23H30 (1)
Stoich.:	A2B23C30 (1)
Weight, g/mol:	374.235814
ΔH_f, kcal/mol:	35.58
Dipole, Da:	1.48
IP(EA), eV:	-8.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,10S,11S,12R)-N-tert-butyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@@H]1CC(C2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations