Geometry & MOs

Info

ID:	81176
PubChem CID:	49854433
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	507.248169
ΔH_f, kcal/mol:	16.86
Dipole, Da:	7.43
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-carbamoyl-1H-benzimidazol-2-yl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2CN1)C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations