Geometry & MOs

Info

ID:	415863
PubChem CID:	135088865
Reduced:	N5O6C33H45 (1)
Stoich.:	A5B6C33D45 (1)
Weight, g/mol:	334.159375
ΔH_f, kcal/mol:	-242.77
Dipole, Da:	8.3
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-methyl-2-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)CCC3=CC=CC=C3)C=C2)C

DOS

IR

Vibrations