Geometry & MOs

Info

ID:	313965
PubChem CID:	126619208
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	599.120161
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	4.16
IP(EA), eV:	-9.26(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1C2(CCNC2O1)CC(C)(C)C

DOS

IR

Vibrations