Geometry & MOs

Info

ID:	331173
PubChem CID:	127248580
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	4.32
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholin-4-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations