Geometry & MOs

Info

ID:	172560
PubChem CID:	75524876
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	1.02
Dipole, Da:	2.05
IP(EA), eV:	-9.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-[(carbamoylamino)methyl]benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CN(CC2=CC=NC=C2)CC3=CN=CC=C3

DOS

IR

Vibrations