Geometry & MOs

Info

ID:	439261
PubChem CID:	135229028
Reduced:	O4N5C23H35 (1)
Stoich.:	A4B5C23D35 (1)
Weight, g/mol:	403.269573
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	4.23
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[[5-[(2,5-dimethylpyrazol-3-yl)methoxy]-2-[(1-methylcyclopropyl)amino]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC(=NC=C1OCCN=C/C(=C(/C)\C(=C)C)/C)N(C(=O)C)C(=O)C

DOS

IR

Vibrations